#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a s ALA 20 N 0.00 -3.32 -0.48 3.14 0.00 -1.26 -5.12 121.76 114.72 3d5a s ALA 20 Ca 0.00 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.64 3d5a s ALA 20 Cb 0.00 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.35 3d5a s ALA 20 CO 0.00 -2.23 0.65 0.15 0.00 0.00 0.00 175.76 174.33 3d5a s LYS 21 N 2.21 3.19 0.21 0.00 -0.14 -1.26 -4.77 119.74 119.18 3d5a s LYS 21 Ca 0.16 -0.65 -0.09 0.00 -1.36 0.00 0.00 55.97 54.03 3d5a s LYS 21 Cb -0.02 -4.04 0.26 0.00 -1.68 0.00 0.00 37.83 32.34 3d5a s LYS 21 CO -0.15 -1.16 1.79 0.28 -0.76 0.00 0.00 175.35 175.35 3d5a h VAL 22 N 5.87 0.92 -1.18 3.17 2.07 -1.59 -1.70 116.25 123.82 3d5a h VAL 22 Ca -0.27 -0.21 0.34 0.00 0.82 0.00 0.00 66.70 67.38 3d5a h VAL 22 Cb 1.09 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 3d5a h VAL 22 CO 0.94 0.11 0.78 0.50 0.02 0.00 0.00 177.57 179.92 3d5a h LYS 23 N 0.62 0.22 0.09 1.57 1.63 -1.71 -0.77 116.57 118.22 3d5a h LYS 23 Ca 0.30 -0.01 -0.29 0.00 -0.85 0.00 0.00 60.65 59.80 3d5a h LYS 23 Cb 0.24 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 3d5a h LYS 23 CO -0.21 0.14 -1.44 0.00 -3.45 0.00 0.00 179.45 174.49 3d5a h ALA 24 N 1.57 0.32 0.00 5.00 0.00 -1.62 -3.29 119.26 121.24 3d5a h ALA 24 Ca 0.68 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3d5a h ALA 24 Cb 2.04 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.04 3d5a h ALA 24 CO -0.30 1.19 0.00 2.41 0.00 0.00 0.00 179.25 182.55 3d5a n THR 25 N -3.40 1.03 -4.80 0.00 -1.04 -0.31 -4.66 114.28 101.10 3d5a n THR 25 Ca -0.13 0.26 -0.25 0.00 -2.04 0.00 0.00 64.05 61.89 3d5a n THR 25 Cb 1.03 -1.04 -0.16 0.00 -1.82 0.00 0.00 70.33 68.34 3d5a n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3d5a s LEU 26 N -2.91 1.98 0.00 -4.42 1.43 -1.15 -5.12 118.68 108.49 3d5a s LEU 26 Ca 0.07 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3d5a s LEU 26 Cb 0.08 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.41 3d5a s LEU 26 CO 0.23 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.60 3d5a n GLY 27 N 2.86 1.09 3.55 -3.19 0.00 -1.26 -4.89 105.19 103.35 3d5a n GLY 27 Ca -0.16 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 3d5a n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d5a s GLU 28 N 0.97 2.73 -0.00 1.61 2.12 -1.26 -4.96 118.70 119.92 3d5a s GLU 28 Ca 0.00 0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.73 3d5a s GLU 28 Cb 0.00 -4.43 -0.01 0.00 0.26 0.00 0.00 34.13 29.94 3d5a s GLU 28 CO 0.00 -2.68 -0.16 -0.59 -0.54 0.00 0.00 175.26 171.29 3d5a s PHE 29 N 8.52 1.43 -0.95 5.30 -0.12 -1.26 -5.08 117.98 125.82 3d5a s PHE 29 Ca 0.61 -0.28 -0.24 0.00 -0.05 0.00 0.00 56.93 56.97 3d5a s PHE 29 Cb -0.11 -0.91 0.04 0.00 -0.63 0.00 0.00 43.02 41.41 3d5a s PHE 29 CO 0.17 -0.01 1.43 0.34 -0.05 0.00 0.00 175.22 177.11 3d5a s ASP 30 N -0.51 6.37 0.00 1.98 2.15 -1.26 -4.81 116.67 120.59 3d5a s ASP 30 Ca 0.06 -1.19 0.15 0.00 0.43 0.00 0.00 52.55 51.99 3d5a s ASP 30 Cb -0.06 -2.57 0.90 0.00 -0.30 0.00 0.00 42.92 40.89 3d5a s ASP 30 CO -0.00 -1.63 1.34 0.00 -0.17 0.00 0.00 175.17 174.71 3d5a n LEU 31 N 9.20 0.00 -0.99 -1.34 -0.00 -1.26 -1.72 117.00 120.88 3d5a n LEU 31 Ca 0.27 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.40 3d5a n LEU 31 Cb 0.50 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.12 3d5a n LEU 31 CO 0.67 0.00 0.69 -1.14 -0.00 0.00 0.00 177.39 177.61 3d5a n ARG 32 N -0.88 2.33 -3.51 1.47 0.63 -1.26 -4.41 116.66 111.03 3d5a n ARG 32 Ca 0.11 -1.98 -0.26 0.00 -0.92 0.00 0.00 57.85 54.80 3d5a n ARG 32 Cb 0.05 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.45 3d5a n ARG 32 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3d5a s ASP 33 N -1.73 6.37 0.00 6.15 3.68 -0.70 -4.93 116.67 125.51 3d5a s ASP 33 Ca 0.34 0.49 0.04 0.00 2.13 0.00 0.00 52.55 55.55 3d5a s ASP 33 Cb 0.21 -2.05 -0.00 0.00 -1.45 0.00 0.00 42.92 39.64 3d5a s ASP 33 CO 0.31 -0.16 0.42 0.00 0.13 0.00 0.00 175.17 175.87 3d5a n TYR 34 N -1.11 0.00 0.65 -5.34 0.18 -1.26 -4.60 117.16 105.68 3d5a n TYR 34 Ca -0.04 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.81 3d5a n TYR 34 Cb 0.55 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.52 3d5a n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3d5a n ARG 35 N -0.37 1.62 -1.21 -3.48 1.74 -1.26 -4.49 116.66 109.20 3d5a n ARG 35 Ca 0.02 -0.93 -0.36 0.00 -0.77 0.00 0.00 57.85 55.81 3d5a n ARG 35 Cb 0.09 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3d5a n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3d5a n ASN 36 N 0.10 8.11 -0.20 0.55 6.94 -1.26 -4.70 115.26 124.80 3d5a n ASN 36 Ca 0.07 -2.53 0.27 0.00 -0.02 0.00 0.00 54.58 52.37 3d5a n ASN 36 Cb 0.33 -1.48 0.68 0.00 -2.36 0.00 0.00 39.78 36.94 3d5a n ASN 36 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 3d5a h VAL 37 N 3.04 0.57 0.72 3.53 -1.51 -1.96 -2.04 116.25 118.60 3d5a h VAL 37 Ca 0.80 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 66.21 3d5a h VAL 37 Cb 0.29 0.48 0.01 0.00 -2.13 0.00 0.00 31.29 29.94 3d5a h VAL 37 CO 1.70 0.02 -0.34 -0.08 -1.23 0.00 0.00 177.57 177.63 3d5a h GLU 38 N 0.08 -0.93 -0.17 5.19 4.57 -2.00 -0.54 114.58 120.78 3d5a h GLU 38 Ca 0.44 0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.72 3d5a h GLU 38 Cb 1.63 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 30.39 3d5a h GLU 38 CO -0.05 -0.60 -0.06 0.28 -1.18 0.00 0.00 179.01 177.41 3d5a h VAL 39 N -1.05 0.79 -0.40 0.32 2.07 -1.79 -2.47 116.25 113.72 3d5a h VAL 39 Ca -0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3d5a h VAL 39 Cb 0.76 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3d5a h VAL 39 CO 0.16 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.95 3d5a h LEU 40 N -0.02 0.35 -1.33 2.57 3.38 -1.40 -2.61 115.31 116.25 3d5a h LEU 40 Ca 0.09 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3d5a h LEU 40 Cb 0.15 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3d5a h LEU 40 CO -0.19 0.24 0.46 0.50 0.09 0.00 0.00 178.44 179.54 3d5a h LYS 41 N 0.41 0.88 0.00 1.13 3.64 -0.59 -0.26 116.57 121.77 3d5a h LYS 41 Ca 0.16 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3d5a h LYS 41 Cb 0.13 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3d5a h LYS 41 CO -0.04 0.58 0.00 0.54 -2.27 0.00 0.00 179.45 178.26 3d5a n ARG 42 N -4.44 0.29 -0.13 1.90 3.00 -0.98 -3.61 116.66 112.69 3d5a n ARG 42 Ca 0.08 0.10 -0.23 0.00 -0.01 0.00 0.00 57.85 57.78 3d5a n ARG 42 Cb 0.06 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 30.91 3d5a n ARG 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3d5a n PHE 43 N -1.18 0.00 0.89 -1.55 3.01 -0.11 -4.52 117.46 114.00 3d5a n PHE 43 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 3d5a n PHE 43 Cb 0.09 -0.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.59 3d5a n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3d5a n LEU 44 N -3.73 1.07 0.00 4.37 4.32 -1.21 -2.69 117.00 119.13 3d5a n LEU 44 Ca -0.49 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 54.97 3d5a n LEU 44 Cb 0.93 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 3d5a n LEU 44 CO 0.14 0.24 0.00 -1.54 -1.22 0.00 0.00 177.39 175.01 3d5a n SER 45 N 0.11 -2.20 -2.53 -1.43 3.41 -1.23 -2.89 113.62 106.85 3d5a n SER 45 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 3d5a n SER 45 Cb 0.24 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.21 3d5a n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3d5a n GLU 46 N -0.20 3.28 0.00 4.33 -0.58 -1.26 -4.50 120.64 121.71 3d5a n GLU 46 Ca 0.00 -4.23 0.00 0.00 -0.42 0.00 0.00 57.16 52.51 3d5a n GLU 46 Cb 0.00 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 28.61 3d5a n GLU 46 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3d5a n THR 47 N -0.53 0.00 0.00 2.62 -2.24 -1.25 -4.83 114.28 108.05 3d5a n THR 47 Ca 0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 3d5a n THR 47 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3d5a n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d5a n GLY 48 N 0.04 0.76 3.77 3.38 0.00 -1.16 -2.35 105.19 109.64 3d5a n GLY 48 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3d5a n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5a s LYS 49 N -0.49 4.28 -1.00 1.61 -0.14 -1.14 -4.73 119.74 118.14 3d5a s LYS 49 Ca 0.00 0.71 -0.24 0.00 -1.36 0.00 0.00 55.97 55.09 3d5a s LYS 49 Cb 0.00 -3.32 -0.05 0.00 -1.68 0.00 0.00 37.83 32.78 3d5a s LYS 49 CO 0.00 0.42 1.90 0.42 -0.76 0.00 0.00 175.35 177.32 3d5a s ILE 50 N -0.35 3.53 0.09 2.17 -1.09 -1.26 -3.58 121.20 120.72 3d5a s ILE 50 Ca 0.30 -0.60 -0.22 0.00 -2.23 0.00 0.00 60.65 57.91 3d5a s ILE 50 Cb -0.18 -4.28 -0.12 0.00 -1.58 0.00 0.00 42.46 36.30 3d5a s ILE 50 CO 0.17 -1.07 0.48 0.18 -1.23 0.00 0.00 174.94 173.46 3d5a n LEU 51 N 13.49 -0.58 -4.53 2.97 4.77 -1.10 -4.86 117.00 127.16 3d5a n LEU 51 Ca 0.41 0.78 -0.33 0.00 -0.03 0.00 0.00 56.01 56.84 3d5a n LEU 51 Cb 0.47 -0.64 0.13 0.00 -2.33 0.00 0.00 43.42 41.05 3d5a n LEU 51 CO 0.63 -1.80 0.26 -0.81 -1.33 0.00 0.00 177.39 174.35 3d5a n PRO 52 N 0.79 -0.19 0.30 3.23 -0.04 -1.26 -4.73 135.00 133.10 3d5a n PRO 52 Ca 0.13 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.77 3d5a n PRO 52 Cb 0.13 -2.08 0.93 0.00 -0.04 0.00 0.00 33.50 32.44 3d5a n PRO 52 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3d5a h ARG 53 N -1.40 0.00 -0.68 0.54 2.43 -1.98 -1.95 114.38 111.35 3d5a h ARG 53 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3d5a h ARG 53 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3d5a h ARG 53 CO 0.39 0.03 0.00 0.54 -1.51 0.00 0.00 179.97 179.42 3d5a n ARG 54 N -3.29 1.44 0.00 0.20 3.00 -1.26 -1.28 116.66 115.47 3d5a n ARG 54 Ca -0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 57.85 57.41 3d5a n ARG 54 Cb 0.18 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.20 3d5a n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3d5a n ARG 55 N -0.01 0.53 0.06 5.56 5.12 -0.75 -4.83 116.66 122.35 3d5a n ARG 55 Ca 0.04 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.75 3d5a n ARG 55 Cb 0.29 -0.63 -0.13 0.00 -1.16 0.00 0.00 32.46 30.83 3d5a n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3d5a h THR 56 N 0.00 1.38 -3.83 0.55 1.35 -1.50 -3.20 112.91 107.66 3d5a h THR 56 Ca 0.00 -2.39 -0.05 0.00 -0.55 0.00 0.00 66.41 63.42 3d5a h THR 56 Cb 0.26 2.81 0.04 0.00 -1.73 0.00 0.00 68.15 69.53 3d5a h THR 56 CO 0.00 0.71 -0.16 0.61 -0.25 0.00 0.00 175.52 176.43 3d5a n GLY 57 N 1.39 -0.18 3.40 5.82 0.00 -0.40 -2.24 105.19 112.98 3d5a n GLY 57 Ca -0.13 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 3d5a n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5a s LEU 58 N -3.30 1.85 0.64 0.99 1.02 -1.26 -4.63 118.68 113.99 3d5a s LEU 58 Ca 0.09 -1.52 -0.11 0.00 0.02 0.00 0.00 54.13 52.61 3d5a s LEU 58 Cb -0.01 -0.03 -0.03 0.00 0.02 0.00 0.00 46.19 46.14 3d5a s LEU 58 CO 0.26 -0.81 1.04 -0.55 0.02 0.00 0.00 176.35 176.30 3d5a s SER 59 N -3.45 5.98 0.37 2.29 0.15 -1.26 -4.80 113.70 112.99 3d5a s SER 59 Ca 0.33 1.48 0.08 0.00 0.70 0.00 0.00 55.95 58.53 3d5a s SER 59 Cb 0.06 -2.47 0.80 0.00 -1.71 0.00 0.00 66.02 62.69 3d5a s SER 59 CO 0.16 -1.04 1.95 0.00 1.20 0.00 0.00 173.24 175.51 3d5a h ALA 60 N -0.44 1.78 -0.20 5.45 0.00 -2.01 0.34 119.26 124.18 3d5a h ALA 60 Ca -0.44 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 3d5a h ALA 60 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3d5a h ALA 60 CO 0.60 0.09 -0.35 -0.22 0.00 0.00 0.00 179.25 179.37 3d5a h LYS 61 N 0.69 0.42 0.03 0.00 3.64 -2.02 -3.12 116.57 116.21 3d5a h LYS 61 Ca 0.33 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 3d5a h LYS 61 Cb 0.38 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3d5a h LYS 61 CO -0.11 0.72 -0.41 0.93 -2.27 0.00 0.00 179.45 178.31 3d5a h GLU 62 N 0.36 0.22 -0.89 1.90 5.08 -1.31 -3.29 114.58 116.65 3d5a h GLU 62 Ca 0.04 -0.28 0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3d5a h GLU 62 Cb 0.79 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.04 3d5a h GLU 62 CO 0.06 1.04 0.50 0.37 -1.00 0.00 0.00 179.01 179.98 3d5a h GLN 63 N -0.47 0.72 0.79 2.33 5.75 -0.46 -1.74 115.11 122.02 3d5a h GLN 63 Ca -0.06 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 3d5a h GLN 63 Cb 1.21 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 29.60 3d5a h GLN 63 CO 0.08 0.47 -0.38 0.00 -2.65 0.00 0.00 178.83 176.35 3d5a h ARG 64 N 0.74 -1.02 0.00 1.69 3.08 -1.65 -1.91 114.38 115.31 3d5a h ARG 64 Ca 0.47 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.59 3d5a h ARG 64 Cb 0.60 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3d5a h ARG 64 CO -0.33 -0.68 0.02 0.44 -1.07 0.00 0.00 179.97 178.35 3d5a n ILE 65 N -5.48 1.55 0.00 2.04 -5.35 -1.14 -0.95 119.36 110.03 3d5a n ILE 65 Ca -0.13 0.60 -0.01 0.00 -0.27 0.00 0.00 62.75 62.94 3d5a n ILE 65 Cb 0.42 -1.60 -0.00 0.00 -1.74 0.00 0.00 39.64 36.71 3d5a n ILE 65 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3d5a h LEU 66 N 0.00 -0.03 -1.42 7.28 5.85 -0.90 -3.22 115.31 122.86 3d5a h LEU 66 Ca 0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 3d5a h LEU 66 Cb 0.03 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3d5a h LEU 66 CO 0.00 0.09 0.55 0.00 -0.34 0.00 0.00 178.44 178.74 3d5a h ALA 67 N -1.75 1.98 -0.24 1.25 0.00 -1.01 0.21 119.26 119.70 3d5a h ALA 67 Ca -0.00 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3d5a h ALA 67 Cb 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3d5a h ALA 67 CO 0.01 -0.22 -0.33 -0.22 0.00 0.00 0.00 179.25 178.49 3d5a h LYS 68 N 0.55 -0.32 -0.03 0.00 1.63 -1.19 0.35 116.57 117.55 3d5a h LYS 68 Ca 0.42 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 60.09 3d5a h LYS 68 Cb 0.83 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 3d5a h LYS 68 CO -0.17 -0.22 -0.67 1.79 -3.45 0.00 0.00 179.45 176.74 3d5a h THR 69 N -0.34 1.44 0.22 1.00 1.35 -1.21 -2.96 112.91 112.41 3d5a h THR 69 Ca 0.13 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 3d5a h THR 69 Cb 0.54 2.16 -0.03 0.00 -1.73 0.00 0.00 68.15 69.09 3d5a h THR 69 CO -0.43 0.63 -0.43 0.40 -0.25 0.00 0.00 175.52 175.44 3d5a h ILE 70 N 0.10 0.00 -0.68 6.82 1.08 0.39 -2.08 117.51 123.14 3d5a h ILE 70 Ca -0.01 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.57 3d5a h ILE 70 Cb 1.19 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.86 3d5a h ILE 70 CO 0.10 0.00 0.27 0.11 -0.69 0.00 0.00 178.15 177.93 3d5a h LYS 71 N -0.71 0.43 -0.52 2.37 1.57 -1.03 -2.32 116.57 116.36 3d5a h LYS 71 Ca -0.02 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3d5a h LYS 71 Cb 0.67 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 3d5a h LYS 71 CO -0.17 0.28 -0.28 0.00 -0.57 0.00 0.00 179.45 178.72 3d5a h ARG 72 N 0.44 -0.14 -0.93 3.15 3.08 -1.26 0.12 114.38 118.84 3d5a h ARG 72 Ca 0.35 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 3d5a h ARG 72 Cb 0.47 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3d5a h ARG 72 CO -0.34 -0.10 0.55 0.00 -1.07 0.00 0.00 179.97 179.01 3d5a h ALA 73 N 1.09 1.22 -0.03 0.04 0.00 -0.87 -0.63 119.26 120.09 3d5a h ALA 73 Ca 0.23 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3d5a h ALA 73 Cb 0.52 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3d5a h ALA 73 CO -0.61 0.66 0.06 0.00 0.00 0.00 0.00 179.25 179.36 3d5a h ARG 74 N 1.29 0.00 0.16 0.00 3.08 -0.58 -0.96 114.38 117.37 3d5a h ARG 74 Ca 0.33 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.14 3d5a h ARG 74 Cb -0.04 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.03 3d5a h ARG 74 CO -0.06 0.00 -1.12 0.82 -1.07 0.00 0.00 179.97 178.54 3d5a h ILE 75 N 0.00 1.33 0.00 2.04 2.04 -0.28 -3.27 117.51 119.38 3d5a h ILE 75 Ca 0.01 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.34 3d5a h ILE 75 Cb 0.13 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3d5a h ILE 75 CO -0.00 0.74 0.00 0.18 0.00 0.00 0.00 178.15 179.07 3d5a n LEU 76 N -3.98 0.51 0.00 1.44 7.99 -0.47 -4.80 117.00 117.69 3d5a n LEU 76 Ca -0.17 -0.26 0.00 0.00 -0.01 0.00 0.00 56.01 55.57 3d5a n LEU 76 Cb 0.91 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 3d5a n LEU 76 CO 0.49 0.13 0.00 0.61 -1.51 0.00 0.00 177.39 177.11 3d5a n GLY 77 N 0.17 2.70 0.00 -0.72 0.00 -0.97 -4.91 105.19 101.47 3d5a n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d5a n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d5a n LEU 78 N 0.00 0.00 -4.77 0.99 4.77 -0.57 -4.72 117.00 112.71 3d5a n LEU 78 Ca 0.00 0.31 -0.39 0.00 -0.03 0.00 0.00 56.01 55.89 3d5a n LEU 78 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3d5a n LEU 78 CO 0.00 0.00 0.89 -0.76 -1.33 0.00 0.00 177.39 176.19 3d5a s LEU 79 N -0.65 4.31 1.15 2.23 1.43 -1.17 -4.89 118.68 121.09 3d5a s LEU 79 Ca 0.00 2.47 -0.16 0.00 -1.03 0.00 0.00 54.13 55.41 3d5a s LEU 79 Cb 0.00 -3.84 0.26 0.00 0.03 0.00 0.00 46.19 42.63 3d5a s LEU 79 CO 0.00 -0.58 1.08 -2.84 0.23 0.00 0.00 176.35 174.23 3d5a s PRO 80 N -2.02 -0.76 -0.17 1.29 0.02 -1.26 -3.80 135.00 128.29 3d5a s PRO 80 Ca 0.53 0.26 -0.02 0.00 0.02 0.00 0.00 61.00 61.79 3d5a s PRO 80 Cb -0.34 -1.62 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 3d5a s PRO 80 CO 0.44 -3.48 -0.17 1.19 -0.33 0.00 0.00 177.00 174.66 3d5a n PHE 81 N -4.65 0.00 -3.63 6.54 3.01 -1.26 -4.79 117.46 112.68 3d5a n PHE 81 Ca 0.09 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.42 3d5a n PHE 81 Cb 0.58 -0.62 -0.07 0.00 -0.01 0.00 0.00 39.48 39.36 3d5a n PHE 81 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3d5a s THR 82 N -2.32 0.00 0.11 4.37 2.01 -1.26 -4.79 115.64 113.76 3d5a s THR 82 Ca -0.22 0.00 0.09 0.00 0.31 0.00 0.00 61.69 61.87 3d5a s THR 82 Cb 0.07 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3d5a s THR 82 CO 0.35 0.00 -0.23 -1.83 -0.69 0.00 0.00 174.62 172.22 3d5a s GLU 83 N 0.62 1.26 0.17 4.92 -1.05 -0.99 -4.98 118.70 118.66 3d5a s GLU 83 Ca -0.02 -1.22 -0.32 0.00 -0.15 0.00 0.00 54.97 53.26 3d5a s GLU 83 Cb -0.05 -1.61 -0.11 0.00 -0.44 0.00 0.00 34.13 31.92 3d5a s GLU 83 CO -0.03 0.38 1.66 0.15 0.95 0.00 0.00 175.26 178.36 3d5a s LYS 84 N -1.92 4.17 -0.16 -4.83 -0.14 -1.26 -4.78 119.74 110.84 3d5a s LYS 84 Ca 0.10 2.47 -0.29 0.00 -1.36 0.00 0.00 55.97 56.89 3d5a s LYS 84 Cb -0.10 -3.20 -0.07 0.00 -1.68 0.00 0.00 37.83 32.78 3d5a s LYS 84 CO 0.05 -0.69 2.15 -0.11 -0.76 0.00 0.00 175.35 175.99 3d5a n LEU 85 N 4.27 3.45 0.00 3.17 7.94 -1.26 -4.95 117.00 129.62 3d5a n LEU 85 Ca 0.15 0.41 -0.20 0.00 -1.11 0.00 0.00 56.01 55.26 3d5a n LEU 85 Cb 0.37 -1.53 0.19 0.00 0.53 0.00 0.00 43.42 42.98 3d5a n LEU 85 CO 0.63 -0.45 0.27 1.33 -1.11 0.00 0.00 177.39 178.06 3d5a n VAL 86 N 7.10 0.00 -1.73 1.96 0.24 -1.26 -4.77 118.33 119.86 3d5a n VAL 86 Ca 0.28 -0.08 -0.67 0.00 -2.04 0.00 0.00 64.34 61.83 3d5a n VAL 86 Cb 0.42 -0.77 -0.10 0.00 -1.47 0.00 0.00 33.84 31.92 3d5a n VAL 86 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3d5a n ARG 87 N -4.38 0.00 0.00 7.34 0.00 -1.26 -5.25 116.66 113.11 3d5a n ARG 87 Ca 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.05 3d5a n ARG 87 Cb 0.40 -1.49 0.60 0.00 0.00 0.00 0.00 32.46 31.97 3d5a n ARG 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99